Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jlf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N GLY 1.A O no hydrogen 2.931 N/A ARG 5.A NH1 HIS 265.A O no hydrogen 3.335 N/A ARG 6.A N GLU 2.A O no hydrogen 2.925 N/A LYS 7.A N ALA 3.A O no hydrogen 2.912 N/A GLU 8.A N GLN 4.A O no hydrogen 2.941 N/A ARG 9.A N ARG 5.A O no hydrogen 2.931 N/A GLU 10.A N ARG 6.A O no hydrogen 2.919 N/A GLU 11.A N LYS 7.A O no hydrogen 2.920 N/A LEU 12.A N GLU 8.A O no hydrogen 2.950 N/A ALA 13.A N ARG 9.A O no hydrogen 2.926 N/A GLN 14.A N GLU 10.A O no hydrogen 3.200 N/A GLN 14.A N GLU 11.A O no hydrogen 3.293 N/A GLN 15.A N GLU 11.A O no hydrogen 3.148 N/A GLN 15.A NE2 HIS 260.A O no hydrogen 3.124 N/A TYR 16.A N LEU 12.A O no hydrogen 3.030 N/A TYR 16.A OH GLU 146.A O no hydrogen 2.360 N/A ALA 18.A N GLN 14.A O no hydrogen 2.953 N/A ILE 19.A N GLN 15.A O no hydrogen 2.865 N/A LEU 20.A N TYR 16.A O no hydrogen 2.907 N/A ARG 21.A N GLU 17.A O no hydrogen 2.905 N/A GLU 22.A N ALA 18.A O no hydrogen 2.936 N/A CYS 23.A N ILE 19.A O no hydrogen 2.903 N/A CYS 23.A SG ILE 19.A O no hydrogen 3.207 N/A CYS 23.A SG LEU 238.A O no hydrogen 3.768 N/A GLY 24.A N LEU 20.A O no hydrogen 2.969 N/A GLY 26.A N GLN 29.A OE1 no hydrogen 3.316 N/A PHE 28.A N ASN 245.A OD1 no hydrogen 3.395 N/A GLN 29.A N GLN 29.A OE1 no hydrogen 2.801 N/A GLN 29.A NE2 GLY 24.A O no hydrogen 3.606 N/A GLN 29.A NE2 PHE 147.A O no hydrogen 2.955 N/A TRP 30.A N GLY 26.A O no hydrogen 3.302 N/A THR 31.A N ARG 27.A O no hydrogen 2.916 N/A THR 31.A OG1 ARG 27.A O no hydrogen 3.001 N/A LEU 32.A N PHE 28.A O no hydrogen 2.999 N/A TYR 33.A N GLN 29.A O no hydrogen 2.848 N/A TYR 33.A OH TRP 159.A O no hydrogen 2.491 N/A PHE 34.A N TRP 30.A O no hydrogen 3.003 N/A VAL 35.A N THR 31.A O no hydrogen 3.058 N/A LEU 36.A N LEU 32.A O no hydrogen 2.972 N/A GLY 37.A N TYR 33.A O no hydrogen 2.857 N/A LEU 38.A N PHE 34.A O no hydrogen 3.010 N/A ALA 39.A N VAL 35.A O no hydrogen 3.211 N/A LEU 40.A N LEU 36.A O no hydrogen 2.963 N/A MET 41.A N GLY 37.A O no hydrogen 2.840 N/A ALA 42.A N LEU 38.A O no hydrogen 3.063 N/A GLY 44.A N LEU 40.A O no hydrogen 2.990 N/A VAL 45.A N MET 41.A O no hydrogen 2.936 N/A GLU 46.A N ALA 42.A O no hydrogen 3.004 N/A PHE 48.A N VAL 45.A O no hydrogen 3.100 N/A PHE 52.A N PHE 48.A O no hydrogen 2.972 N/A VAL 53.A N VAL 49.A O no hydrogen 2.988 N/A VAL 53.A N VAL 50.A O no hydrogen 3.221 N/A LEU 54.A N VAL 50.A O no hydrogen 2.904 N/A ALA 57.A N VAL 53.A O no hydrogen 2.857 N/A GLU 58.A N LEU 54.A O no hydrogen 2.917 N/A ASP 60.A N SER 56.A O no hydrogen 2.935 N/A MET 61.A N ALA 57.A O no hydrogen 2.906 N/A LEU 63.A N GLU 58.A O no hydrogen 3.026 N/A SER 64.A OG ASP 65.A O no hydrogen 3.175 N/A SER 66.A OG ASP 65.A O no hydrogen 2.285 N/A LYS 68.A N SER 64.A O no hydrogen 3.224 N/A LYS 68.A NZ GLU 58.A OE1 no hydrogen 2.378 N/A GLY 72.A N GLY 69.A O no hydrogen 3.288 N/A TYR 76.A N LEU 73.A O no hydrogen 2.469 N/A LEU 77.A N LEU 73.A O no hydrogen 3.301 N/A GLY 78.A N ILE 74.A O no hydrogen 2.944 N/A MET 79.A N VAL 75.A O no hydrogen 2.905 N/A MET 80.A N TYR 76.A O no hydrogen 2.863 N/A VAL 81.A N LEU 77.A O no hydrogen 3.068 N/A GLY 82.A N GLY 78.A O no hydrogen 2.924 N/A ALA 83.A N MET 79.A O no hydrogen 2.912 N/A LEU 85.A N VAL 81.A O no hydrogen 3.013 N/A TRP 86.A N GLY 82.A O no hydrogen 2.895 N/A TRP 86.A NE1 VAL 131.A O no hydrogen 3.059 N/A GLY 87.A N ALA 83.A O no hydrogen 2.919 N/A GLY 88.A N PHE 84.A O no hydrogen 2.902 N/A LEU 89.A N LEU 85.A O no hydrogen 2.961 N/A ALA 90.A N TRP 86.A O no hydrogen 2.898 N/A ARG 92.A N LEU 89.A O no hydrogen 3.229 N/A ARG 92.A NE GLN 280.A OE1 no hydrogen 2.871 N/A LEU 93.A N LEU 89.A O no hydrogen 2.939 N/A GLY 94.A N ALA 90.A O no hydrogen 3.185 N/A ARG 95.A NE GLU 146.A OE2 no hydrogen 2.434 N/A ARG 95.A NH1 ALA 90.A O no hydrogen 3.077 N/A ARG 95.A NH1 ASP 91.A OD1 no hydrogen 2.946 N/A ARG 95.A NH2 ASP 91.A OD1 no hydrogen 3.402 N/A ARG 96.A N GLU 220.A OE2 no hydrogen 3.076 N/A ARG 96.A NE GLN 218.A O no hydrogen 2.925 N/A CYS 98.A N GLY 94.A O no hydrogen 3.205 N/A CYS 98.A SG GLY 94.A O no hydrogen 3.496 N/A LEU 99.A N ARG 95.A O no hydrogen 2.923 N/A LEU 100.A N ARG 96.A O no hydrogen 2.909 N/A ILE 101.A N GLN 97.A O no hydrogen 3.026 N/A SER 102.A N CYS 98.A O no hydrogen 2.925 N/A SER 102.A OG CYS 98.A O no hydrogen 3.161 N/A SER 102.A OG LEU 99.A O no hydrogen 3.106 N/A LEU 103.A N LEU 99.A O no hydrogen 2.921 N/A SER 104.A N LEU 100.A O no hydrogen 2.955 N/A SER 104.A OG LEU 100.A O no hydrogen 3.124 N/A SER 104.A OG ILE 101.A O no hydrogen 2.652 N/A VAL 105.A N ILE 101.A O no hydrogen 2.975 N/A ASN 106.A N SER 102.A O no hydrogen 2.960 N/A ASN 106.A ND2 SER 208.A OG no hydrogen 3.243 N/A SER 107.A N LEU 103.A O no hydrogen 2.929 N/A SER 107.A OG LEU 103.A O no hydrogen 3.077 N/A SER 107.A OG SER 208.A OG no hydrogen 2.762 N/A VAL 108.A N SER 104.A O no hydrogen 2.921 N/A PHE 109.A N VAL 105.A O no hydrogen 3.022 N/A ALA 110.A N ASN 106.A O no hydrogen 3.071 N/A PHE 111.A N SER 107.A O no hydrogen 3.061 N/A PHE 112.A N VAL 108.A O no hydrogen 3.173 N/A SER 113.A N PHE 109.A O no hydrogen 2.910 N/A SER 113.A OG PHE 109.A O no hydrogen 3.521 N/A SER 113.A OG ALA 110.A O no hydrogen 2.586 N/A SER 114.A N ALA 110.A O no hydrogen 2.969 N/A SER 114.A OG ARG 198.A O no hydrogen 3.009 N/A PHE 115.A N PHE 112.A O no hydrogen 3.078 N/A VAL 116.A N PHE 112.A O no hydrogen 3.212 N/A VAL 116.A N SER 113.A O no hydrogen 3.310 N/A GLN 117.A NE2 PHE 115.A O no hydrogen 2.986 N/A LEU 123.A N TYR 119.A O no hydrogen 2.716 N/A PHE 124.A N GLY 120.A O no hydrogen 2.923 N/A CYS 125.A N THR 121.A O no hydrogen 2.881 N/A CYS 125.A SG THR 121.A O no hydrogen 3.279 N/A ARG 126.A N PHE 122.A O no hydrogen 2.963 N/A LEU 127.A N LEU 123.A O no hydrogen 2.917 N/A LEU 128.A N PHE 124.A O no hydrogen 2.955 N/A SER 129.A N CYS 125.A O no hydrogen 2.917 N/A SER 129.A OG GLU 46.A OE2 no hydrogen 2.491 N/A SER 129.A OG ASN 106.A OD1 no hydrogen 2.676 N/A GLY 130.A N ARG 126.A O no hydrogen 3.008 N/A VAL 131.A N LEU 127.A O no hydrogen 2.937 N/A GLY 132.A N LEU 128.A O no hydrogen 2.932 N/A ILE 133.A N SER 129.A O no hydrogen 3.054 N/A SER 136.A N ILE 133.A O no hydrogen 3.458 N/A SER 136.A OG ALA 39.A O no hydrogen 2.763 N/A VAL 140.A N SER 136.A O no hydrogen 2.852 N/A PHE 141.A N ILE 137.A O no hydrogen 3.122 N/A SER 142.A N PRO 138.A O no hydrogen 2.968 N/A SER 142.A OG PRO 138.A O no hydrogen 2.726 N/A TYR 143.A N VAL 140.A O no hydrogen 3.242 N/A TYR 143.A OH PRO 219.A O no hydrogen 2.246 N/A PHE 144.A N VAL 140.A O no hydrogen 2.938 N/A SER 145.A N PHE 141.A O no hydrogen 3.043 N/A SER 145.A OG PHE 141.A O no hydrogen 3.267 N/A SER 145.A OG SER 142.A O no hydrogen 3.220 N/A PHE 147.A N PHE 144.A O no hydrogen 3.373 N/A LEU 148.A N SER 145.A O no hydrogen 3.279 N/A ARG 153.A NE GLU 525.A OE2 no hydrogen 3.148 N/A ARG 153.A NH1 GLN 589.A O no hydrogen 3.173 N/A ARG 153.A NH2 GLN 589.A O no hydrogen 2.497 N/A GLU 155.A N ASP 470.A OD1 no hydrogen 2.603 N/A LEU 157.A N ARG 153.A O no hydrogen 3.012 N/A SER 158.A N GLY 154.A O no hydrogen 2.881 N/A SER 158.A OG GLY 154.A O no hydrogen 2.560 N/A TRP 159.A N GLU 155.A O no hydrogen 2.946 N/A LEU 160.A N LEU 157.A O no hydrogen 3.291 N/A CYS 161.A N SER 158.A O no hydrogen 3.352 N/A CYS 161.A SG SER 158.A O no hydrogen 3.884 N/A CYS 161.A SG ASN 517.A OD1 no hydrogen 3.072 N/A MET 162.A N TRP 159.A O no hydrogen 3.519 N/A ILE 166.A N MET 162.A O no hydrogen 2.983 N/A GLY 167.A N PHE 163.A O no hydrogen 3.058 N/A GLY 167.A N TRP 164.A O no hydrogen 3.232 N/A GLY 168.A N TRP 164.A O no hydrogen 3.035 N/A VAL 169.A N MET 165.A O no hydrogen 2.972 N/A TYR 170.A N ILE 166.A O no hydrogen 3.355 N/A TYR 170.A OH VAL 203.A O no hydrogen 2.397 N/A ALA 171.A N GLY 167.A O no hydrogen 2.958 N/A ALA 172.A N GLY 168.A O no hydrogen 3.017 N/A ALA 173.A N VAL 169.A O no hydrogen 2.941 N/A MET 174.A N TYR 170.A O no hydrogen 2.968 N/A ALA 175.A N ALA 171.A O no hydrogen 2.915 N/A TRP 176.A N ALA 172.A O no hydrogen 2.949 N/A ALA 177.A N ALA 173.A O no hydrogen 2.941 N/A ILE 178.A N MET 174.A O no hydrogen 2.950 N/A ILE 179.A N ALA 175.A O no hydrogen 3.149 N/A HIS 181.A N ILE 178.A O no hydrogen 3.288 N/A TYR 182.A N PRO 180.A O no hydrogen 2.999 N/A GLN 187.A NE2 TYR 192.A O no hydrogen 2.278 N/A TYR 192.A N GLY 189.A O no hydrogen 3.230 N/A GLN 193.A NE2 GLN 187.A OE1 no hydrogen 2.985 N/A PHE 194.A N PHE 186.A O no hydrogen 3.165 N/A SER 196.A OG HIS 181.A O no hydrogen 2.424 N/A ARG 198.A NH1 VAL 116.A O no hydrogen 2.457 N/A ARG 198.A NH2 VAL 116.A O no hydrogen 3.015 N/A PHE 200.A N SER 196.A O no hydrogen 2.970 N/A VAL 201.A N TRP 197.A O no hydrogen 2.887 N/A LEU 202.A N ARG 198.A O no hydrogen 3.009 N/A VAL 203.A N VAL 199.A O no hydrogen 2.959 N/A CYS 204.A N PHE 200.A O no hydrogen 2.915 N/A CYS 204.A SG PHE 200.A O no hydrogen 3.364 N/A ALA 205.A N VAL 201.A O no hydrogen 2.951 N/A PHE 206.A N LEU 202.A O no hydrogen 3.140 N/A SER 208.A OG LEU 103.A O no hydrogen 3.265 N/A SER 208.A OG SER 107.A OG no hydrogen 2.762 N/A PHE 210.A N PHE 206.A O no hydrogen 3.082 N/A ALA 211.A N PRO 207.A O no hydrogen 2.908 N/A ILE 212.A N SER 208.A O no hydrogen 3.006 N/A GLY 213.A N VAL 209.A O no hydrogen 3.020 N/A ALA 214.A N PHE 210.A O no hydrogen 2.917 N/A LEU 215.A N ALA 211.A O no hydrogen 2.904 N/A THR 216.A N ILE 212.A O no hydrogen 3.070 N/A THR 216.A OG1 ILE 212.A O no hydrogen 3.332 N/A THR 216.A OG1 GLY 213.A O no hydrogen 2.671 N/A THR 217.A N ALA 214.A O no hydrogen 3.394 N/A THR 217.A OG1 ALA 214.A O no hydrogen 2.943 N/A GLN 218.A N LEU 215.A O no hydrogen 3.141 N/A GLN 218.A NE2 THR 217.A OG1 no hydrogen 3.263 N/A ARG 223.A NH1 LEU 591.A O no hydrogen 3.241 N/A ARG 223.A NH2 LEU 591.A O no hydrogen 3.398 N/A PHE 224.A N SER 221.A O no hydrogen 3.240 N/A LEU 226.A N PRO 222.A O no hydrogen 2.913 N/A GLU 227.A N ARG 223.A O no hydrogen 2.913 N/A ASN 228.A N PHE 224.A O no hydrogen 3.343 N/A GLY 229.A N LEU 226.A O no hydrogen 3.281 N/A LYS 230.A N PHE 225.A O no hydrogen 2.825 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.679 N/A TRP 235.A N HIS 231.A O no hydrogen 3.002 N/A TRP 235.A NE1 VAL 258.A O no hydrogen 2.505 N/A MET 236.A N ASP 232.A O no hydrogen 2.918 N/A VAL 237.A N GLU 233.A O no hydrogen 2.940 N/A LEU 238.A N ALA 234.A O no hydrogen 2.943 N/A LYS 239.A N TRP 235.A O no hydrogen 2.921 N/A GLN 240.A N MET 236.A O no hydrogen 2.942 N/A VAL 241.A N VAL 237.A O no hydrogen 2.938 N/A HIS 242.A N LEU 238.A O no hydrogen 2.965 N/A ASP 243.A N LYS 239.A O no hydrogen 2.889 N/A THR 244.A N GLN 240.A O no hydrogen 2.932 N/A THR 244.A OG1 GLN 240.A O no hydrogen 3.061 N/A ASN 245.A N VAL 241.A O no hydrogen 2.975 N/A ASN 245.A ND2 CYS 23.A O no hydrogen 3.498 N/A ASN 245.A ND2 GLN 29.A OE1 no hydrogen 3.510 N/A MET 246.A N HIS 242.A O no hydrogen 2.933 N/A ARG 247.A N ASP 243.A O no hydrogen 2.892 N/A ALA 248.A N THR 244.A O no hydrogen 2.975 N/A LYS 249.A N ASN 245.A O no hydrogen 2.908 N/A LYS 249.A NZ HIS 25.A O no hydrogen 2.941 N/A GLY 250.A N MET 246.A O no hydrogen 3.165 N/A HIS 251.A N MET 246.A O no hydrogen 3.117 N/A SER 257.A N GLU 22.A OE2 no hydrogen 3.216 N/A SER 257.A OG GLU 22.A OE2 no hydrogen 2.604 N/A ILE 261.A N HIS 231.A NE2 no hydrogen 3.085 N/A LYS 262.A N GLN 15.A OE1 no hydrogen 2.893 N/A THR 263.A OG1 ILE 261.A O no hydrogen 3.047 N/A HIS 265.A N GLU 8.A OE2 no hydrogen 3.077 N/A VAL 272.A N GLN 268.A O no hydrogen 2.934 N/A ARG 273.A N ARG 269.A O no hydrogen 2.938 N/A ALA 274.A N TRP 270.A O no hydrogen 2.931 N/A LEU 275.A N GLY 271.A O no hydrogen 2.937 N/A SER 276.A N VAL 272.A O no hydrogen 3.064 N/A SER 276.A OG VAL 272.A O no hydrogen 3.542 N/A SER 276.A OG ARG 273.A O no hydrogen 2.581 N/A LEU 277.A N ARG 273.A O no hydrogen 2.715 N/A GLY 278.A N ALA 274.A O no hydrogen 3.107 N/A GLY 279.A N LEU 275.A O no hydrogen 2.871 N/A GLN 280.A N SER 276.A O no hydrogen 2.943 N/A VAL 281.A N LEU 277.A O no hydrogen 2.942 N/A TRP 282.A N GLY 278.A O no hydrogen 2.918 N/A GLY 283.A N GLY 279.A O no hydrogen 2.892 N/A ASN 284.A N GLN 280.A O no hydrogen 2.946 N/A PHE 285.A N VAL 281.A O no hydrogen 2.925 N/A LEU 286.A N TRP 282.A O no hydrogen 2.927 N/A SER 287.A N GLY 283.A O no hydrogen 2.888 N/A SER 287.A OG GLY 283.A O no hydrogen 3.096 N/A SER 287.A OG ASN 284.A O no hydrogen 2.763 N/A CYS 288.A N ASN 284.A O no hydrogen 2.950 N/A CYS 288.A SG ASN 284.A O no hydrogen 3.471 N/A ARG 295.A NH2 LYS 582.A O no hydrogen 3.484 N/A THR 297.A OG1 CYS 288.A O no hydrogen 3.058 N/A THR 297.A OG1 TYR 293.A O no hydrogen 3.378 N/A THR 297.A OG1 TYR 527.A OH no hydrogen 3.274 N/A LEU 298.A N ARG 294.A O no hydrogen 3.257 N/A MET 299.A N ARG 295.A O no hydrogen 3.012 N/A MET 300.A N ILE 296.A O no hydrogen 2.914 N/A MET 301.A N THR 297.A O no hydrogen 2.837 N/A GLY 302.A N LEU 298.A O no hydrogen 2.981 N/A VAL 303.A N MET 299.A O no hydrogen 2.870 N/A TRP 304.A N MET 300.A O no hydrogen 2.961 N/A PHE 305.A N MET 301.A O no hydrogen 2.942 N/A THR 306.A N GLY 302.A O no hydrogen 2.958 N/A THR 306.A OG1 GLY 302.A O no hydrogen 2.928 N/A THR 306.A OG1 VAL 303.A O no hydrogen 3.139 N/A MET 307.A N VAL 303.A O no hydrogen 2.972 N/A SER 308.A N TRP 304.A O no hydrogen 2.996 N/A SER 308.A OG TRP 304.A O no hydrogen 2.766 N/A PHE 309.A N PHE 305.A O no hydrogen 2.917 N/A SER 310.A N THR 306.A O no hydrogen 3.056 N/A SER 310.A OG THR 306.A O no hydrogen 3.332 N/A SER 310.A OG ALA 569.A O no hydrogen 3.251 N/A TYR 311.A N MET 307.A O no hydrogen 2.933 N/A TYR 312.A N SER 308.A O no hydrogen 2.944 N/A GLY 313.A N PHE 309.A O no hydrogen 3.015 N/A LEU 314.A N SER 310.A O no hydrogen 2.993 N/A THR 315.A N TYR 311.A O no hydrogen 2.908 N/A THR 315.A OG1 TYR 311.A O no hydrogen 2.824 N/A VAL 316.A N TYR 312.A O no hydrogen 2.984 N/A TRP 317.A N GLY 313.A O no hydrogen 2.943 N/A PHE 318.A N LEU 314.A O no hydrogen 3.038 N/A MET 321.A N TRP 317.A O no hydrogen 2.951 N/A ILE 322.A N PHE 318.A O no hydrogen 2.991 N/A ARG 323.A N PRO 319.A O no hydrogen 2.981 N/A HIS 324.A N ASP 320.A O no hydrogen 2.937 N/A LEU 325.A N MET 321.A O no hydrogen 2.945 N/A GLN 326.A N ILE 322.A O no hydrogen 3.020 N/A GLN 326.A NE2 GLU 498.A OE1 no hydrogen 3.133 N/A ALA 327.A N ARG 323.A O no hydrogen 2.817 N/A VAL 328.A N HIS 324.A O no hydrogen 2.927 N/A ASP 329.A N LEU 325.A O no hydrogen 3.018 N/A TYR 330.A N GLN 326.A O no hydrogen 2.907 N/A ALA 331.A N ALA 327.A O no hydrogen 3.005 N/A SER 332.A N VAL 328.A O no hydrogen 3.022 N/A SER 332.A OG VAL 328.A O no hydrogen 3.517 N/A SER 332.A OG ASP 329.A O no hydrogen 2.504 N/A ARG 333.A N ASP 329.A O no hydrogen 3.149 N/A ARG 333.A N TYR 330.A O no hydrogen 3.287 N/A THR 334.A N ALA 331.A O no hydrogen 3.466 N/A THR 334.A OG1 ASN 353.A OD1 no hydrogen 3.230 N/A LYS 335.A N ASN 353.A O no hydrogen 3.299 N/A PHE 337.A N ILE 355.A O no hydrogen 2.939 N/A GLY 339.A N ARG 357.A O no hydrogen 2.626 N/A HIS 344.A N PHE 362.A O no hydrogen 3.285 N/A HIS 344.A N ASN 363.A O no hydrogen 3.165 N/A PHE 347.A N LYS 365.A O no hydrogen 3.029 N/A ASN 353.A N LYS 372.A O no hydrogen 2.883 N/A ASN 353.A ND2 TYR 330.A O no hydrogen 3.238 N/A GLN 354.A N SER 373.A O no hydrogen 3.138 N/A ILE 355.A N LYS 335.A O no hydrogen 2.759 N/A HIS 356.A N SER 375.A O no hydrogen 2.846 N/A HIS 356.A ND1 GLU 340.A OE1 no hydrogen 2.902 N/A HIS 356.A NE2 GLN 354.A OE1 no hydrogen 3.060 N/A ARG 357.A N PHE 337.A O no hydrogen 3.318 N/A GLY 358.A N GLU 377.A O no hydrogen 3.078 N/A GLN 360.A N GLU 340.A O no hydrogen 2.853 N/A TYR 361.A N LEU 380.A O no hydrogen 2.787 N/A PHE 362.A N VAL 342.A O no hydrogen 3.217 N/A ASN 363.A N GLU 382.A O no hydrogen 2.958 N/A LYS 365.A N VAL 345.A O no hydrogen 3.364 N/A LYS 365.A NZ ASN 363.A OD1 no hydrogen 2.535 N/A PHE 366.A N TYR 385.A O no hydrogen 2.687 N/A GLY 368.A N GLU 387.A O no hydrogen 2.729 N/A ARG 370.A N PHE 349.A O no hydrogen 3.181 N/A LEU 371.A N THR 390.A O no hydrogen 2.779 N/A LYS 372.A N LEU 351.A O no hydrogen 3.313 N/A SER 373.A N SER 392.A O no hydrogen 2.777 N/A SER 373.A OG TYR 330.A OH no hydrogen 3.026 N/A SER 375.A N GLN 354.A O no hydrogen 3.093 N/A SER 375.A OG GLU 377.A OE2 no hydrogen 3.468 N/A PHE 376.A N PHE 395.A O no hydrogen 3.055 N/A GLU 377.A N HIS 356.A O no hydrogen 2.700 N/A ASP 378.A N ARG 397.A O no hydrogen 3.078 N/A SER 379.A OG GLU 377.A O no hydrogen 3.317 N/A LEU 380.A N GLY 359.A O no hydrogen 3.278 N/A PHE 381.A N THR 400.A O no hydrogen 2.889 N/A GLU 382.A N TYR 361.A O no hydrogen 3.102 N/A GLU 383.A N ILE 402.A O no hydrogen 2.829 N/A CYS 384.A SG TYR 361.A O no hydrogen 3.964 N/A CYS 384.A SG GLU 382.A O no hydrogen 3.876 N/A TYR 385.A N ASP 364.A O no hydrogen 2.931 N/A TYR 385.A OH GLU 387.A OE1 no hydrogen 3.130 N/A PHE 386.A N VAL 405.A O no hydrogen 3.008 N/A GLU 387.A N PHE 366.A O no hydrogen 2.840 N/A ASP 388.A N ASN 408.A O no hydrogen 3.114 N/A THR 390.A N LEU 369.A O no hydrogen 3.052 N/A SER 391.A N ASP 410.A OD2 no hydrogen 2.921 N/A SER 392.A N LEU 371.A O no hydrogen 2.715 N/A ASN 393.A ND2 SER 373.A OG no hydrogen 3.109 N/A THR 394.A OG1 VAL 374.A O no hydrogen 3.371 N/A THR 394.A OG1 SER 392.A O no hydrogen 3.414 N/A PHE 395.A N VAL 374.A O no hydrogen 3.325 N/A PHE 396.A N LYS 415.A O no hydrogen 2.774 N/A ARG 397.A N PHE 376.A O no hydrogen 2.949 N/A ASN 398.A N VAL 417.A O no hydrogen 3.349 N/A ASN 398.A ND2 ASP 378.A OD1 no hydrogen 2.343 N/A CYS 399.A SG PHE 376.A O no hydrogen 3.533 N/A CYS 399.A SG ARG 397.A O no hydrogen 3.523 N/A THR 400.A N SER 379.A O no hydrogen 3.108 N/A PHE 401.A N ARG 420.A O no hydrogen 2.769 N/A ILE 402.A N PHE 381.A O no hydrogen 2.836 N/A ASN 403.A N ILE 422.A O no hydrogen 2.855 N/A VAL 405.A N CYS 384.A O no hydrogen 3.362 N/A PHE 406.A N THR 425.A O no hydrogen 2.761 N/A TYR 407.A N PHE 386.A O no hydrogen 2.830 N/A ASN 408.A N LEU 427.A O no hydrogen 2.822 N/A ASP 410.A N VAL 389.A O no hydrogen 3.434 N/A LYS 415.A N PHE 412.A O no hydrogen 3.273 N/A LYS 415.A NZ SER 391.A O no hydrogen 3.475 N/A LYS 415.A NZ ASP 410.A O no hydrogen 2.885 N/A VAL 417.A N PHE 396.A O no hydrogen 2.635 N/A ARG 420.A N CYS 399.A O no hydrogen 2.965 N/A ARG 420.A NH2 THR 400.A OG1 no hydrogen 3.059 N/A ILE 422.A N PHE 401.A O no hydrogen 2.688 N/A THR 425.A N THR 404.A O no hydrogen 3.165 N/A LEU 427.A N PHE 406.A O no hydrogen 2.897 N/A LYS 430.A N THR 409.A O no hydrogen 3.325 N/A LYS 430.A NZ ASN 408.A OD1 no hydrogen 3.341 N/A CYS 433.A SG LYS 59.A O no hydrogen 3.757 N/A ALA 444.A N GLY 441.A O no hydrogen 3.418 N/A TYR 445.A N GLU 442.A O no hydrogen 2.955 N/A VAL 447.A N GLY 443.A O no hydrogen 2.803 N/A TYR 448.A N ALA 444.A O no hydrogen 2.917 N/A PHE 449.A N TYR 445.A O no hydrogen 2.961 N/A VAL 450.A N MET 446.A O no hydrogen 2.756 N/A SER 451.A N VAL 447.A O no hydrogen 2.950 N/A PHE 452.A N TYR 448.A O no hydrogen 2.843 N/A LEU 453.A N PHE 449.A O no hydrogen 2.898 N/A GLY 454.A N VAL 450.A O no hydrogen 2.861 N/A GLY 454.A N SER 451.A O no hydrogen 2.943 N/A THR 455.A N SER 451.A O no hydrogen 2.961 N/A ALA 457.A N LEU 453.A O no hydrogen 3.350 N/A LEU 459.A N LEU 456.A O no hydrogen 3.246 N/A ASN 462.A N VAL 458.A O no hydrogen 3.045 N/A ILE 463.A N LEU 459.A O no hydrogen 3.006 N/A VAL 464.A N PRO 460.A O no hydrogen 2.944 N/A SER 465.A N GLY 461.A O no hydrogen 2.894 N/A ALA 466.A N ASN 462.A O no hydrogen 2.936 N/A LEU 467.A N ILE 463.A O no hydrogen 3.000 N/A LEU 468.A N VAL 464.A O no hydrogen 2.925 N/A ILE 472.A N LEU 468.A O no hydrogen 2.933 N/A ARG 474.A NH2 GLU 525.A OE2 no hydrogen 2.427 N/A MET 477.A N GLY 473.A O no hydrogen 3.119 N/A LEU 478.A N ARG 474.A O no hydrogen 2.917 N/A ALA 479.A N LEU 475.A O no hydrogen 2.881 N/A GLY 480.A N ARG 476.A O no hydrogen 2.865 N/A SER 481.A N MET 477.A O no hydrogen 3.005 N/A SER 481.A OG VAL 511.A O no hydrogen 2.592 N/A SER 482.A N LEU 478.A O no hydrogen 2.938 N/A SER 482.A OG LEU 478.A O no hydrogen 2.836 N/A SER 482.A OG SER 515.A OG no hydrogen 3.290 N/A VAL 483.A N ALA 479.A O no hydrogen 2.926 N/A SER 485.A N SER 481.A O no hydrogen 2.928 N/A SER 485.A OG SER 481.A O no hydrogen 2.921 N/A SER 485.A OG SER 512.A OG no hydrogen 2.938 N/A CYS 486.A N SER 482.A O no hydrogen 2.964 N/A CYS 486.A SG SER 570.A O no hydrogen 3.409 N/A VAL 487.A N VAL 483.A O no hydrogen 2.992 N/A SER 488.A N MET 484.A O no hydrogen 2.937 N/A CYS 489.A N SER 485.A O no hydrogen 2.941 N/A CYS 489.A SG SER 485.A O no hydrogen 3.164 N/A PHE 490.A N CYS 486.A O no hydrogen 3.018 N/A PHE 491.A N VAL 487.A O no hydrogen 2.952 N/A LEU 492.A N CYS 489.A O no hydrogen 3.142 N/A PHE 494.A N PHE 491.A O no hydrogen 3.140 N/A MET 501.A N SER 497.A O no hydrogen 2.997 N/A ILE 502.A N GLU 498.A O no hydrogen 2.918 N/A ALA 503.A N SER 499.A O no hydrogen 2.942 N/A LEU 504.A N ALA 500.A O no hydrogen 2.878 N/A LEU 505.A N MET 501.A O no hydrogen 2.883 N/A CYS 506.A N ILE 502.A O no hydrogen 2.980 N/A CYS 506.A SG LEU 453.A O no hydrogen 3.476 N/A CYS 506.A SG ILE 502.A O no hydrogen 3.202 N/A LEU 507.A N ALA 503.A O no hydrogen 2.944 N/A PHE 508.A N LEU 504.A O no hydrogen 2.938 N/A GLY 509.A N LEU 505.A O no hydrogen 2.941 N/A GLY 510.A N CYS 506.A O no hydrogen 2.914 N/A VAL 511.A N LEU 507.A O no hydrogen 2.973 N/A VAL 511.A N PHE 508.A O no hydrogen 3.194 N/A SER 512.A N PHE 508.A O no hydrogen 3.018 N/A SER 512.A OG SER 485.A OG no hydrogen 2.938 N/A SER 512.A OG PHE 508.A O no hydrogen 3.325 N/A SER 515.A N SER 481.A OG no hydrogen 3.130 N/A SER 515.A OG SER 482.A OG no hydrogen 3.290 N/A TRP 516.A N SER 512.A O no hydrogen 3.133 N/A ASN 517.A N ILE 513.A O no hydrogen 2.940 N/A ASN 517.A ND2 ILE 513.A O no hydrogen 2.413 N/A ALA 518.A N ALA 514.A O no hydrogen 2.947 N/A LEU 519.A N SER 515.A O no hydrogen 2.998 N/A ASP 520.A N TRP 516.A O no hydrogen 2.946 N/A VAL 521.A N ASN 517.A O no hydrogen 3.059 N/A LEU 522.A N ALA 518.A O no hydrogen 2.931 N/A THR 523.A N LEU 519.A O no hydrogen 2.948 N/A VAL 524.A N ASP 520.A O no hydrogen 3.002 N/A GLU 525.A N VAL 521.A O no hydrogen 3.020 N/A TYR 527.A OH THR 297.A OG1 no hydrogen 3.274 N/A ASP 530.A N ASP 530.A OD1 no hydrogen 2.645 N/A LYS 531.A N PRO 528.A O no hydrogen 2.923 N/A ARG 532.A NE VAL 524.A O no hydrogen 2.802 N/A ARG 532.A NH1 SER 529.A OG no hydrogen 3.108 N/A THR 533.A OG1 GLY 87.A O no hydrogen 3.115 N/A THR 533.A OG1 ASP 91.A OD1 no hydrogen 2.701 N/A THR 533.A OG1 ASP 91.A OD2 no hydrogen 2.701 N/A THR 534.A N ASP 91.A OD2 no hydrogen 2.864 N/A THR 534.A OG1 GLY 87.A O no hydrogen 3.509 N/A THR 534.A OG1 ASP 91.A OD2 no hydrogen 2.461 N/A ALA 535.A N LYS 531.A O no hydrogen 2.987 N/A PHE 536.A N ARG 532.A O no hydrogen 2.925 N/A GLY 537.A N THR 533.A O no hydrogen 2.903 N/A PHE 538.A N THR 534.A O no hydrogen 2.957 N/A LEU 539.A N ALA 535.A O no hydrogen 2.974 N/A ASN 540.A N PHE 536.A O no hydrogen 2.980 N/A ALA 541.A N GLY 537.A O no hydrogen 2.939 N/A LEU 542.A N PHE 538.A O no hydrogen 3.013 N/A CYS 543.A N LEU 539.A O no hydrogen 3.394 N/A CYS 543.A SG SER 308.A OG no hydrogen 2.760 N/A LYS 544.A NZ TYR 312.A OH no hydrogen 2.963 N/A LEU 545.A N ALA 541.A O no hydrogen 2.994 N/A ALA 546.A N LEU 542.A O no hydrogen 2.931 N/A ALA 547.A N CYS 543.A O no hydrogen 2.877 N/A VAL 548.A N LYS 544.A O no hydrogen 2.984 N/A LEU 549.A N LEU 545.A O no hydrogen 3.053 N/A GLY 550.A N ALA 546.A O no hydrogen 2.887 N/A ILE 551.A N ALA 547.A O no hydrogen 2.887 N/A SER 552.A N VAL 548.A O no hydrogen 3.045 N/A SER 552.A OG VAL 548.A O no hydrogen 2.965 N/A ILE 553.A N LEU 549.A O no hydrogen 2.959 N/A PHE 554.A N GLY 550.A O no hydrogen 2.892 N/A THR 555.A N ILE 551.A O no hydrogen 2.952 N/A THR 555.A OG1 ILE 551.A O no hydrogen 2.830 N/A THR 555.A OG1 SER 552.A O no hydrogen 3.119 N/A SER 556.A N SER 552.A O no hydrogen 2.990 N/A SER 556.A OG SER 552.A O no hydrogen 2.722 N/A PHE 557.A N PHE 554.A O no hydrogen 3.401 N/A ILE 560.A N PHE 557.A O no hydrogen 3.465 N/A LYS 562.A NZ GLY 495.A O no hydrogen 2.507 N/A LYS 562.A NZ ASN 496.A OD1 no hydrogen 2.983 N/A ALA 563.A N THR 561.A OG1 no hydrogen 3.270 N/A ILE 566.A N LYS 562.A O no hydrogen 3.340 N/A LEU 567.A N ALA 563.A O no hydrogen 2.901 N/A PHE 568.A N ALA 564.A O no hydrogen 2.914 N/A ALA 569.A N PRO 565.A O no hydrogen 2.937 N/A SER 570.A N ILE 566.A O no hydrogen 2.908 N/A SER 570.A OG CYS 486.A O no hydrogen 3.514 N/A SER 570.A OG ILE 566.A O no hydrogen 3.151 N/A ALA 571.A N LEU 567.A O no hydrogen 2.906 N/A ALA 572.A N PHE 568.A O no hydrogen 2.967 N/A LEU 573.A N ALA 569.A O no hydrogen 2.924 N/A ALA 574.A N SER 570.A O no hydrogen 2.912 N/A LEU 575.A N ALA 571.A O no hydrogen 2.984 N/A GLY 576.A N ALA 572.A O no hydrogen 2.913 N/A SER 577.A N LEU 573.A O no hydrogen 2.904 N/A SER 578.A N ALA 574.A O no hydrogen 2.945 N/A SER 578.A OG LEU 575.A O no hydrogen 2.714 N/A LEU 579.A N LEU 575.A O no hydrogen 2.955 N/A ALA 580.A N GLY 576.A O no hydrogen 2.897 N/A LEU 581.A N SER 577.A O no hydrogen 2.991 N/A LYS 582.A N LEU 579.A O no hydrogen 3.111 N/A LEU 583.A N ALA 580.A O no hydrogen 3.253 N/A THR 586.A OG1 GLU 525.A OE1 no hydrogen 2.299 N/A ARG 587.A NH1 GLU 585.A OE2 no hydrogen 2.888 N/A